1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

C16H21N3O3 — CID 133267825

IUPAC1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCCO[C@@H]1CN(C(=O)Cc2cnc3c(C)cccn23)C[C@H]1O
InChIInChI=1S/C16H21N3O3/c1-3-22-14-10-18(9-13(14)20)15(21)7-12-8-17-16-11(2)5-4-6-19(12)16/h4-6,8,13-14,20H,3,7,9-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyNSXZWPYGPQPPBN-ZIAGYGMSSA-N
MW303.36 g/mol
LogP0.79
Rot. Bonds4

About 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 133267825) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID133267825
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCCO[C@@H]1CN(C(=O)Cc2cnc3c(C)cccn23)C[C@H]1O
InChIInChI=1S/C16H21N3O3/c1-3-22-14-10-18(9-13(14)20)15(21)7-12-8-17-16-11(2)5-4-6-19(12)16/h4-6,8,13-14,20H,3,7,9-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyNSXZWPYGPQPPBN-ZIAGYGMSSA-N
XLogP0.79
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 56880147
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 131939331
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 166257543
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 133264687
2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 171909665
1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 155504883
N-ethyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(oxan-4-ylmethyl)acetamide
CID 56880575
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone
CID 70704986
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 74245617
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 70725070
1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 70723716
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]ethanone
CID 166616819

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 133267825) is 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is CCO[C@@H]1CN(C(=O)Cc2cnc3c(C)cccn23)C[C@H]1O.
What is the InChIKey of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is NSXZWPYGPQPPBN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-22-14-10-18(9-13(14)20)15(21)7-12-8-17-16-11(2)5-4-6-19(12)16/h4-6,8,13-14,20H,3,7,9-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 303.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 133267825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).